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added optional nuclide to atom densities

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This commit is contained in:
Jonathan Shimwell 2022-08-23 16:30:53 +01:00
parent 2805060ddd
commit 085125ef86
2 changed files with 21 additions and 7 deletions
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21
openmc/material.py
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@ -825,9 +825,15 @@ class Material(IDManagerMixin):
return nuclides
def get_nuclide_atom_densities(self):
"""Returns all nuclides in the material and their atomic densities in
units of atom/b-cm
def get_nuclide_atom_densities(self, nuclide: Optional[str] = None):
"""Returns one or all nuclides in the material and their atomic
densities in units of atom/b-cm
Parameters
----------
nuclides : str, optional
Nuclide for which atom density is desired. If not specified, the
atom density for the all the material is given.
.. versionchanged:: 0.13.1
The values in the dictionary were changed from a tuple containing
@ -862,10 +868,11 @@ class Material(IDManagerMixin):
nuc_densities = []
nuc_density_types = []
for nuclide in self.nuclides:
nucs.append(nuclide.name)
nuc_densities.append(nuclide.percent)
nuc_density_types.append(nuclide.percent_type)
for loop_nuclide in self.nuclides:
if nuclide is None or nuclide == loop_nuclide.name:
nucs.append(loop_nuclide.name)
nuc_densities.append(loop_nuclide.percent)
nuc_density_types.append(loop_nuclide.percent_type)
nucs = np.array(nucs)
nuc_densities = np.array(nuc_densities)

7
tests/unit_tests/test_material.py
View file

@ -339,6 +339,13 @@ def test_get_nuclide_atom_densities(uo2):
assert density > 0
def test_get_specific_nuclide_atom_densities(uo2):
print(uo2)
nuc = uo2.get_nuclide_atom_densities(nuclide='O16')
assert list(nuc.keys()) == ['O16']
assert list(nuc.values())[0] > 0
def test_get_nuclide_atoms():
mat = openmc.Material()
mat.add_nuclide('Li6', 1.0)